SCHEMBL404752

SCHEMBL404752

CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(NC(=O)c4ccc(Cl)cc4)c3)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.60
▸ SMO Q99835 1/20 0.58
▸ MAPT P10636 6/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ LMNA P02545 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ MAPK1 P28482 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PANK3 Q9H999 1/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ FASN P49327 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ KCNQ3 O43525 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL402823 0.93 SMO (0.59) RAB9ASMOMAPTSMN1; SMN2LMNA
SCHEMBL402941 0.93 RAB9A (0.58) RAB9ASMOMAPTSMN1; SMN2LMNA
SCHEMBL4972061 0.93 RAB9A (0.57) RAB9ASMOMAPTSMN1; SMN2LMNA
SCHEMBL10238467 0.93 SMO (0.54) RAB9ASMOMAPTSMN1; SMN2LMNA
SCHEMBL403537 0.93 SMO (0.54) RAB9ASMOMAPTSMN1; SMN2LMNA
SCHEMBL403314 0.91 SMO (0.71) RAB9ASMOMAPTSMN1; SMN2LMNA
SCHEMBL10238368 0.89 REV1 (0.58) RAB9ASMOMAPTSMN1; SMN2LMNA
SCHEMBL10238428 0.89 SMO (0.55) RAB9ASMOMAPTLMNAHTT
SCHEMBL403506 0.89 MAPT (0.56) RAB9ASMOMAPTSMN1; SMN2MAPK1
SCHEMBL404000 0.88 SMO (0.61) RAB9ASMOMAPTSMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 — — EP claimed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 — — US claimed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 — — US claimed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 — — EP claimed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 — — WO claimed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 — — EP disclosed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 — — EP disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 — — US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 — — US disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 — — US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 — — US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 — — US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 — — US disclosed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 — — EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 — — WO disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO RAB9A 240/4885SMO 3/4885MAPT 2726/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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